3-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethyl]phthalide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H26N2O5S/c1-31(28,29)18-9-7-17(8-10-18)16-24-11-4-12-25(14-13-24)22(26)15-21-19-5-2-3-6-20(19)23(27)30-21/h2-3,5-10,21H,4,11-16H2,1H3